SCHEMBL24744643

SCHEMBL24744643

COc1cc(OCCCc2c(C(=O)O)[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)c2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 20/20 0.63
EEF2K O00418 1/20 0.63
MARK3 P27448 1/20 0.63
AXL P30530 1/20 0.63
BCL6 P41182 1/20 0.63
NEK4 P51957 1/20 0.63
PRKCD Q05655 1/20 0.63
PRKAA1 Q13131 1/20 0.63
CAMK2B Q13554 1/20 0.63
CAMK2G Q13555 1/20 0.63
CAMK2D Q13557 1/20 0.63
MARK2 Q7KZI7 1/20 0.63
PIM3 Q86V86 1/20 0.63
HIPK2 Q9H2X6 1/20 0.63
MKNK2 Q9HBH9 1/20 0.63
MAP3K20 Q9NYL2 1/20 0.63
MAP4K5 Q9Y4K4 1/20 0.63
BCL2 P10415 3/20 0.56
BCL2L1 Q07817 3/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30000167 1.00 MCL1 (0.63) MCL1EEF2KMARK3AXLBCL6
SCHEMBL24745215 0.92 MCL1 (0.54) MCL1EEF2KMARK3AXLBCL6
SCHEMBL30000206 0.92 MCL1 (0.54) MCL1EEF2KMARK3AXLBCL6
SCHEMBL24744642 0.91 MCL1 (0.53) MCL1EEF2KMARK3AXLBCL6
SCHEMBL30000336 0.91 MCL1 (0.53) MCL1EEF2KMARK3AXLBCL6
SCHEMBL24744628 0.89 MCL1 (0.79) MCL1EEF2KMARK3AXLBCL6
SCHEMBL30000920 0.89 MCL1 (0.79) MCL1EEF2KMARK3AXLBCL6
SCHEMBL30000568 0.86 MCL1 (0.67) MCL1EEF2KMARK3AXLBCL6
SCHEMBL24745109 0.86 MCL1 (0.67) MCL1EEF2KMARK3AXLBCL6
SCHEMBL30938894 0.82 MCL1 (0.79) MCL1BCL2BCL2L1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117957218-A Targeted protein degradation using bifunctional compounds that bind to ubiquitin ligases and target MCL-1 proteins 凯普托尔治疗学股份有限公司 2024-04-30 CN disclosed
WO-2022255888-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2022-12-08 WO disclosed
WO-2022253713-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2022-12-08 WO disclosed